Моделирование спекания нанокристаллов оксидного ядерного топлива методом молекулярной динамики

Abstract

A molecular-dynamic simulation of sintering of (U,Pu)O2 nanocrystals with parallelization of the computations on the graphics processing units of the CUDA architecture was carried out. Based on the temperature dependence of the energy of the system, the dependence of the sintering rate on the mutual orientation of the nanocrystals, the ratio of the cations of uranium and plutonium, and the temperature were obtained.